Geometry & MOs

Info

ID:	31146
PubChem CID:	854759
Reduced:	ClON2H13C20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	59.44
Dipole, Da:	4.35
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC(=C([C@H]3C4=CC(=CC=C4)Cl)C#N)N

DOS

IR

Vibrations